You can not select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
|
-3921.5953650775555
|
|
The above number is the electronic (free) harris energy: -3933.2025048388718
|
|
Plus the pressure : 1.3595723686972976E-005 ( 0.20000000000000001 GPa)
|
|
times the orbital volume (in Bohr**3): 62748.335939659897
|
